1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(3-bromobenzyl)piperazino]-3-methyl-butan-1-one Formula: C16H23BrN2O MolecularWeight: 339.27062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H23BrN2O/c1-13(2)10-16(20)19-8-6-18(7-9-19)12-14-4-3-5-15(17)11-14/h3-5,11,13H,6-10,12H2,1-2H3